Geometry & MOs

Info

ID:	437543
PubChem CID:	135226531
Reduced:	FO2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	479.230788
ΔH_f, kcal/mol:	-279.46
Dipole, Da:	6.81
IP(EA), eV:	-9.57(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-4-(4-nitrophenoxy)-6-pentylbenzoic acid

Drug info:

PubChemData

Smile

CCCCCC1=CC(=C(C(=C1C(=O)O)O)C2C=C(CCC2C(=C)C)C)OC(CF)F

DOS

IR

Vibrations